SCHEMBL8563185

SCHEMBL8563185

CC(C)(C)[Si](C)(C)OC[C@@H]1CNc2ccccc2C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
EPHX2 P34913 1/20 0.42
TOP2A P11388 1/20 0.35
IDO1 P14902 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 3/20 0.32
CYP19A1 P11511 1/20 0.32
DUT P33316 1/20 0.31
EHMT2 Q96KQ7 3/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17799397 1.00 MTNR1A (0.47) MTNR1AMTNR1BEPHX2TOP2AIDO1
SCHEMBL8563182 1.00 MTNR1A (0.47) MTNR1AMTNR1BEPHX2TOP2AIDO1
SCHEMBL7424505 0.83 MTNR1A (0.44) MTNR1AMTNR1BEPHX2IDO1MEN1
SCHEMBL7418105 0.78 MTNR1A (0.55) MTNR1AMTNR1BEPHX2IDO1MEN1
SCHEMBL7418106 0.78 MTNR1A (0.55) MTNR1AMTNR1BEPHX2IDO1MEN1
SCHEMBL8561678 0.78 MTNR1A (0.55) MTNR1AMTNR1BEPHX2IDO1MEN1
SCHEMBL22283168 0.78 TOP2A (0.37) MTNR1AEPHX2TOP2ADUTEHMT2
SCHEMBL18576830 0.76 MTNR1A (0.56) MTNR1AMTNR1BEPHX2IDO1MEN1
SCHEMBL17785846 0.76 EPHX2 (0.45) MTNR1AMTNR1BEPHX2IDO1MEN1
SCHEMBL16096739 0.74 SYK (0.39) TOP2ADUT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed